SCHEMBL30749607

SCHEMBL30749607

COc1cc2c(cnn2-c2ccc(Br)cc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 7/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NR3C1 P04150 7/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
MCL1 Q07820 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.39
PGR P06401 1/20 0.38
NPBWR1 P48145 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27170740 1.00 MAP4K1 (0.47) MAP4K1L3MBTL1ALDH1A1CYP11B1CYP11B2
SCHEMBL25366126 0.86 MAP4K1 (0.47) MAP4K1L3MBTL1ALDH1A1CYP11B1CYP11B2
SCHEMBL30749628 0.86 MAP4K1 (0.45) MAP4K1L3MBTL1ALDH1A1CYP11B1CYP11B2
SCHEMBL27170710 0.86 MAP4K1 (0.45) MAP4K1L3MBTL1ALDH1A1CYP11B1CYP11B2
SCHEMBL27170629 0.83 MAP4K1 (0.43) MAP4K1
SCHEMBL30749658 0.83 MAP4K1 (0.43) MAP4K1
SCHEMBL27170578 0.82 CYP11B1 (0.38) MAP4K1L3MBTL1ALDH1A1CYP11B1CYP11B2
SCHEMBL30749528 0.82 CYP11B1 (0.38) MAP4K1L3MBTL1ALDH1A1CYP11B1CYP11B2
SCHEMBL25340971 0.82 CYP11B2 (0.47) MAP4K1L3MBTL1ALDH1A1CYP11B1CYP11B2
SCHEMBL25369137 0.81 MAPT (0.44) MAP4K1L3MBTL1ALDH1A1CYP11B1CYP11B2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240083853-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. 2024-03-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240083853-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B3, HSD17B11, HSD17B1 MAP4K1 3312/4885L3MBTL1 3801/4885ALDH1A1 247/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.